input word = C00011682

Metabolite InformationStructural formula
Name 3-[(Acetyloxy)methyl]-6-(1,5-dimethyl-4-hexenyl)-2-cyclohexen-1-one
Formula C17H26O3
Mw 278.1881947
CAS RN 65526-71-8
C_ID C00011682 ,
InChIKey PUXQGIVKRZTMEB-UHFFFAOYNA-N
InChICode InChI=1S/C17H26O3/c1-12(2)6-5-7-13(3)16-9-8-15(10-17(16)19)11-20-14(4)18/h6,10,13,16H,5,7-9,11H2,1-4H3/t13-,16+/m1/s1
SMILES C1C[C@H](C(=O)C=C1COC(=O)C)[C@H](C)CCC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeStevia ovata Ref.
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